CID 466862

Isopropenyl 3-cyano-3h-benzo[f]quinoline-4-carboxylate

Structural Information

Molecular Formula
C18H14N2O2
SMILES
CC(=C)OC(=O)N1C(C=CC2=C1C=CC3=CC=CC=C32)C#N
InChI
InChI=1S/C18H14N2O2/c1-12(2)22-18(21)20-14(11-19)8-9-16-15-6-4-3-5-13(15)7-10-17(16)20/h3-10,14H,1H2,2H3
InChIKey
CQNKTNIPXQKNIL-UHFFFAOYSA-N
Compound name
prop-1-en-2-yl 3-cyano-3H-benzo[f]quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.10553 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11281 171.4
[M+Na]+ 313.09475 181.8
[M-H]- 289.09825 173.9
[M+NH4]+ 308.13935 185.7
[M+K]+ 329.06869 173.9
[M+H-H2O]+ 273.10279 157.1
[M+HCOO]- 335.10373 185.2
[M+CH3COO]- 349.11938 213.9
[M+Na-2H]- 311.08020 174.6
[M]+ 290.10498 166.5
[M]- 290.10608 166.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.